Geometry & MOs

Info

ID:	243387
PubChem CID:	99222740
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	395.184506
ΔH_f, kcal/mol:	-49.66
Dipole, Da:	2.47
IP(EA), eV:	-9.12(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-(2-amino-2-oxoethyl)-3-(3-nitrophenyl)-N-[(1S)-1-(4-propylphenyl)ethyl]prop-2-enamide

Drug info:

PubChemData

Smile

CCCC1=CC=C(C=C1)[C@@H](C)N(CC(=O)N)C(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

DOS

IR

Vibrations